Molecule

ID:89624

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂
Molecular Mass
184.23708
Exact Mass
184.10004839
Charge
0
InChI
InChI=1S/C12H12N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8,13H2
InChIKey
YXWLMYSYKQXBQE-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)c1ccccc1
Isomeric Smiles
n1c(ccc(c1)CN)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0290126
LogD (pH = 7.4)
0.16031764
Log P
1.9144175
Molar Refractivity
57.1387
Polarizability
23.887344
Polar Surface Area
38.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation